2025-09-06_00000014|ligand|9D9D

Candida albicans Hsp90 nucleotide binding domain in complex with BRI2216; X-ray diffraction 2.09Å
Protein #1 221 residues (97% resolved)

GMADAKVETHEFTAEISQLMSLIINTVYSNKEIFLRELISNASDALDKIRYQALSDPSQLESEPELFIRIIPQKDQKVLEIRDSGIGMTKADLVNNLGTIAKSGTKSFMEALSAGADVSMIGQFGVGFYSLFLVADHVQVISKHNDDEQYVWESNAGGKFTVTLDETNERLGRGTMLRLFLKEDQLEYLEEKRIKEVVKKHSEFVAYPIQLVVTKEVEKEV

GMADAKVETHEFTAEISQLMSLIINTVYSNKEIFLRELISNASDALDKIRYQALSDPSQLESEPELFIRIIPQKDQKVLEIRDSGIGMTKADLVNNLGTIAKSGTKSFMEALSAGADVSMIGQFGVGFYSLFLVADHVQVISKHNDDEQYVWESNAGGKFTVTLDETNERLGRGTMLRLFLKEDQLEYLEEKRIKEVVKKHSEFVAYPIQLVVTKEVEKEV
Non polymer #2 A1A28

InChI=1S/C37H35F2N9O4S/c38-23-6-8-27(28(39)16-23)37(51,20-46-22-41-21-42-46)19-45-12-10-24(11-13-45)43-34(49)32-18-30-35(53-32)44-33(40)36(50)48(30)26-7-9-31-29(17-26)47(14-15-52-31)25-4-2-1-3-5-25/h1-9,16-18,21-22,24,51H,10-15,19-20H2,(H2,40,44)(H,43,49)/t37-/m1/s1

c1ccc(cc1)N2CCOc3c2cc(cc3)N4c5cc(sc5N=C(C4=O)N)C(=O)NC6CCN(CC6)C[C@@](Cn7cncn7)(c8ccc(cc8F)F)O
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Reference